carbonic acid;sulfane;sulfurous acid

CH6O6S2 — CID 88746188

IUPACcarbonic acid;sulfane;sulfurous acid
SMILESO=C(O)O.O=S(O)O.S
InChIInChI=1S/CH2O3.H2O3S.H2S/c2-1(3)4;1-4(2)3;/h(H2,2,3,4);(H2,1,2,3);1H2
InChIKeyRTQVXZUUHLEBCT-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.02
Rot. Bonds

About carbonic acid;sulfane;sulfurous acid

carbonic acid;sulfane;sulfurous acid (PubChem CID 88746188) has the molecular formula CH6O6S2 and a molecular weight of 178.19 g/mol. Its IUPAC name is carbonic acid;sulfane;sulfurous acid.

Molecular Properties

Compound Namecarbonic acid;sulfane;sulfurous acid
PubChem CID88746188
Molecular FormulaCH6O6S2
Molecular Weight178.19 g/mol
Exact Mass177.96
IUPAC Namecarbonic acid;sulfane;sulfurous acid
SMILESO=C(O)O.O=S(O)O.S
InChIInChI=1S/CH2O3.H2O3S.H2S/c2-1(3)4;1-4(2)3;/h(H2,2,3,4);(H2,1,2,3);1H2
InChIKeyRTQVXZUUHLEBCT-UHFFFAOYSA-N
XLogP0.02
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 50.02
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of carbonic acid;sulfane;sulfurous acid?
The IUPAC name of carbonic acid;sulfane;sulfurous acid (CID 88746188) is carbonic acid;sulfane;sulfurous acid.
What is the SMILES notation for carbonic acid;sulfane;sulfurous acid?
The canonical SMILES for carbonic acid;sulfane;sulfurous acid is O=C(O)O.O=S(O)O.S.
What is the InChIKey of carbonic acid;sulfane;sulfurous acid?
The InChIKey is RTQVXZUUHLEBCT-UHFFFAOYSA-N. The full InChI is InChI=1S/CH2O3.H2O3S.H2S/c2-1(3)4;1-4(2)3;/h(H2,2,3,4);(H2,1,2,3);1H2.
What are the key properties of carbonic acid;sulfane;sulfurous acid?
carbonic acid;sulfane;sulfurous acid has a molecular weight of 178.19 g/mol, XLogP of 0.02, 0 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbonic acid;sulfane;sulfurous acid is sourced from PubChem (CID 88746188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).